3-[(4-aminocyclohexyl)-ethylamino]propanoic acid

C11H22N2O2 — CID 79115702

IUPAC3-[(4-aminocyclohexyl)-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C1CCC(N)CC1
InChIInChI=1S/C11H22N2O2/c1-2-13(8-7-11(14)15)10-5-3-9(12)4-6-10/h9-10H,2-8,12H2,1H3,(H,14,15)
InChIKeyBDCOKIJEMRBVEI-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.05
Rot. Bonds5

About 3-[(4-aminocyclohexyl)-ethylamino]propanoic acid

3-[(4-aminocyclohexyl)-ethylamino]propanoic acid (PubChem CID 79115702) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[(4-aminocyclohexyl)-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[(4-aminocyclohexyl)-ethylamino]propanoic acid
PubChem CID79115702
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-[(4-aminocyclohexyl)-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C1CCC(N)CC1
InChIInChI=1S/C11H22N2O2/c1-2-13(8-7-11(14)15)10-5-3-9(12)4-6-10/h9-10H,2-8,12H2,1H3,(H,14,15)
InChIKeyBDCOKIJEMRBVEI-UHFFFAOYSA-N
XLogP1.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-aminocyclohexyl)-ethylamino]-N-methylbutanamide
CID 79116146
4-[cyclopropyl(ethyl)amino]butan-2-one
CID 43243301
3-[2-[(4-aminocyclohexyl)-ethylamino]ethylsulfonyl]propanamide
CID 79116151
3-[(4-aminocyclohexyl)-ethylamino]propan-1-ol
CID 79115547
4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride
CID 53408661
3-[2-[cyclopropyl(ethyl)amino]ethoxy]propanoic acid
CID 169177393
ethyl 6-[(4-aminocyclohexyl)-ethylamino]hexanoate
CID 79116311
2-[(4-aminocyclohexyl)-(carboxymethyl)amino]acetic acid
CID 57287065
3-[(3,3-dimethylcyclopentyl)-ethylamino]propanoic acid
CID 80699493
3-[cyclopropyl(dodecyl)amino]propanoic acid
CID 62065004
4-N-ethyl-4-N-(2-methylsulfonylethyl)cyclohexane-1,4-diamine
CID 79115090
3-[ethyl(oxan-3-yl)amino]propanoic acid
CID 65062378

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminocyclohexyl)-ethylamino]propanoic acid?
The IUPAC name of 3-[(4-aminocyclohexyl)-ethylamino]propanoic acid (CID 79115702) is 3-[(4-aminocyclohexyl)-ethylamino]propanoic acid.
What is the SMILES notation for 3-[(4-aminocyclohexyl)-ethylamino]propanoic acid?
The canonical SMILES for 3-[(4-aminocyclohexyl)-ethylamino]propanoic acid is CCN(CCC(=O)O)C1CCC(N)CC1.
What is the InChIKey of 3-[(4-aminocyclohexyl)-ethylamino]propanoic acid?
The InChIKey is BDCOKIJEMRBVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-13(8-7-11(14)15)10-5-3-9(12)4-6-10/h9-10H,2-8,12H2,1H3,(H,14,15).
What are the key properties of 3-[(4-aminocyclohexyl)-ethylamino]propanoic acid?
3-[(4-aminocyclohexyl)-ethylamino]propanoic acid has a molecular weight of 214.31 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminocyclohexyl)-ethylamino]propanoic acid is sourced from PubChem (CID 79115702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).